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. 2015 Jul 31;71(Pt 8):o625–o626. doi: 10.1107/S205698901501395X
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.058 w = 1/[σ2(Fo2) + (0.0289P)2 + 2.9758P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.150 (Δ/σ)max < 0.001
S = 1.10 Δρmax = 0.36 e Å3
6054 reflections Δρmin = −0.30 e Å3
389 parameters Absolute structure: Flack x determined using 2632 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
1 restraint Absolute structure parameter: 0.05 (8)